SCHEMBL13638842

SCHEMBL13638842

COCCN(C)Cc1ccc(N=O)c(C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
PARP1 P09874 1/20 0.38
GRM1 Q13255 3/20 0.37
BCHE P06276 7/20 0.36
LTA4H P09960 1/20 0.36
BRAF P15056 1/20 0.35
ACHE P22303 5/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13638875 0.75 HRH3 (0.42) BCHEACHEMAPT
SCHEMBL20961917 0.72 ALDH1A1 (0.40) LMNAMAPT
SCHEMBL13638747 0.68 HRH3 (0.40) PARP1LTA4HLMNA
SCHEMBL12969186 0.68 GRM2 (0.41) GRM2PARP1LTA4HBRAFMAOB
SCHEMBL14614616 0.67 PYCR1 (0.56) BCHEACHE
SCHEMBL12474 0.67 PYCR1 (0.50) PARP1LTA4HBRAFACHEMAOB
SCHEMBL26012094 0.66 LTA4H (0.45) GRM2PARP1BCHELTA4HBRAF
SCHEMBL3151763 0.66 LTA4H (0.47) GRM2PARP1LTA4HBRAFMAPT
SCHEMBL1239426 0.66 KDM4E (0.59) PARP1LTA4HBRAFLMNAMAOB
SCHEMBL8381376 0.66 ERN1 (0.58) LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed